Background. Mitogen-activated protein kinase 3 (MAPK3) mediates the onset, progression, metastasis, drug resistance, and poor prognosis in various malignancies, including glioma, liver, ovarian, thyroid, lung, breast, gastric, and oral cancers. Negative regulation of MAPK3 expression using miRNAs has led to therapeutic effects in cancer. Objectives. The present study performed molecular docking and dynamics simulation to identify potential MAPK3 inhibitors from natural flavonoids, possibly leading to drug development in cancer therapy. Methods. A computational drug discovery approach was performed using the AutoDock tool to identify potential MAPK3 inhibitors from 46 plant-based flavonoids. A cross-validation study was executed using the Schrödinger Maestro docking tool. Molecular dynamics (MD) was executed to evaluate the stability of docked poses between the top-ranked compounds and the MAPK3 catalytic domain. Interactions among the most potent MAPK3 inhibitors and residues within the receptor’s active site were studied using the BIOVIA Discovery Studio Visualizer before and after 100 ns MD simulations. Results. Kaempferol 3-rutinoside-4′-glucoside, kaempferol 3-rutinoside-7-sophoroside, rutin, and vicenin-2 exhibited a magnificent binding affinity to the receptor’s active site. In addition, the stability of the docked poses of these compounds seemed to be stable after ∼45 ns computer simulations. Conclusion. The present study suggests that kaempferol 3-rutinoside-4′-glucoside, kaempferol 3-rutinoside-7-sophoroside, rutin, and vicenin-2 could strongly bind to the MAPK3 catalytic site and could be assigned as a potent inhibitor for MAPK3. These findings may be helpful in the treatment of various cancers. However, further validation experiments are needed.

Salivary melatonin level as an antioxidant was lower in HIV-positive patients. Further studies are necessary to understand the exact role of melatonin in HIV-positive patients and its therapeutic effects.

Background Vascular anomalies include a wide range of tumors and malformations (1). Among vascular anomalies, hemangioma is most frequently detected in the head and neck regions (1-3). Hemangioma often refers to congenital hamartomas and vascular disorders. Overall, it is considered as a developmental disorder, which is often identified in the early stages (3). Hemangioma is regarded as the most common type of tumor among children so that it is reported in nearly 5%-10% of children below one year. It is characterized by fast development, proliferation of endothelial cells, and progressive involution (4). In most cases of hemangioma, the head and neck regions are affected, whereas the oral cavity is an uncommon site of occurrence. They may occur at any site or at any age without any variations among different races or genders (3). Hemangioma in the oral region mostly affects the lips, tongue, and buccal mucosa, while the hard and soft palates normally remain unaffected (2, 3). Clinically, hemangioma appears as a soft, smooth or lobulated mass. It is a sessile or pedunculated lesion, which can lead to the formation of ulcers, pain, bleeding, secondary infections, and tissue abnormalities (2, 5). Lesions vary in size from a few millimeters to several centimeters (4). Histopathologically, hemangioma shows flatted endothelial cells and small capillary size space (4). In this report, we will describe an unusual case of capillary hemangioma of the tongue.